7-chloranyl-5-(2-cyclopropylethynyl)-3-ethenyl-5-(trifluoromethyl)-1H-4,1-benzoxazepin-2-one

Systemtic Name: 7-chloranyl-5-(2-cyclopropylethynyl)-3-ethenyl-5-(trifluoromethyl)-1H-4,1-benzoxazepin-2-one Openeye Name: 7-chloro-5-(2-cyclopropylethynyl)-5-(trifluoromethyl)-3-vinyl-1H-4,1-benzoxazepin-2-one CAS Name: 7-chloro-5-(2-cyclopropylethynyl)-3-ethenyl-5-(trifluoromethyl)-1H-4,1-benzoxazepin-2-one IUPAC Name: 7-chloro-5-(2-cyclopropylethynyl)-3-ethenyl-5-(trifluoromethyl)-1H-4,1-benzoxazepin-2-one Traditional Name: 7-chloro-5-(2-cyclopropylethynyl)-5-(trifluoromethyl)-3-vinyl-1H-4,1-benzoxazepin-2-one Formula: C17H13ClF3NO2 MolecularWeight: 355.73883

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Descriptors Computed from Structure

Canonical SMILES:

C=CC1C(=O)NC2=C(C=C(C=C2)Cl)C(O1)(C#CC3CC3)C(F)(F)F

Isomeric SMILES

C=CC1C(=O)NC2=C(C=C(C=C2)Cl)C(O1)(C#CC3CC3)C(F)(F)F

InChI

InChI=1S/C17H13ClF3NO2/c1-2-14-15(23)22-13-6-5-11(18)9-12(13)16(24-14,17(19,20)21)8-7-10-3-4-10/h2,5-6,9-10,14H,1,3-4H2,(H,22,23)